SCHEMBL3697654

SCHEMBL3697654

NC(=O)c1ccc(Oc2ccc3c(c2)CN(CCc2ccccc2)CC3)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 1.00
OPRM1 P35372 18/20 0.93
OPRD1 P41143 17/20 0.93
ABCB1 P08183 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3700181 0.96 OPRM1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL3691414 0.95 OPRM1 (0.93) OPRK1OPRM1OPRD1
SCHEMBL3697513 0.94 OPRM1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL3696847 0.92 OPRM1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL3761851 0.91 OPRM1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL3699892 0.91 OPRM1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL3694156 0.91 OPRM1 (1.00) OPRK1OPRM1OPRD1ABCB1
SCHEMBL3695741 0.90 OPRM1 (1.00) OPRK1OPRM1OPRD1ABCB1
SCHEMBL27550433 0.87 OPRM1 (0.83) OPRK1OPRM1OPRD1ABCB1
SCHEMBL3695101 0.87 OPRM1 (1.00) OPRK1OPRM1OPRD1ABCB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 CN disclosed